chempirical

3,4-Dichlorobenzenemethanol

C7H6Cl2OCAS 1805-32-9177.02 g/mol

Open in Covalent MOL file
HOClCl
AlcoholAryl halide

Properties

Molecular formula
C7H6Cl2O
Molar mass
177.02 g/mol
Exact mass
175.9796 Da
Melting point
36 °C
Boiling point
149.5 °C
logP
2.49Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
1805-32-9
SMILES
OCc1ccc(Cl)c(Cl)c1
InChIKey
FVJIUQSKXOYFKG-UHFFFAOYSA-N
InChI
InChI=1S/C7H6Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Benzenemethanol, 3,4-dichloro-
  • Benzyl alcohol, 3,4-dichloro-
  • 3,4-Dichlorobenzyl alcohol
  • (3,4-Dichlorophenyl)methanol
  • NSC 26136
  • NSC 407829

Work with 3,4-Dichlorobenzenemethanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Dichlorobenzyl chloride102-47-658 % similar 3,4-Dichlorobenzenemethanamine102-49-856 % similar 3,4-Dichlorobenzyl bromide18880-04-156 % similar 1,3-Benzenedimethanol626-18-654 % similar 4-Chloro-3-nitrobenzenemethanol55912-20-453 % similar 3,4-Dichlorobenzeneacetonitrile3218-49-350 % similar 3,4-Dichlorophenylacetic acid5807-30-750 % similar 1,4-Benzenedimethanol589-29-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,6-Dichlorobenzyl alcohol15258-73-8 2,4-Dichloro-6-methylphenol1570-65-6 2,4-Dichlorobenzyl alcohol1777-82-8 1,4-Dichloro-2-methoxybenzene1984-58-3 2,3-Dichloroanisole1984-59-4 2,6-Dichloroanisole1984-65-2 Alpha,4-Dichloroanisole21151-56-4 2,6-Dichloro-4-methylphenol2432-12-4

Elsewhere

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